CID 2774120

2,3-difluoro-4-methoxyphenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
COC1=C(C(=C(C=C1)O)F)F
InChI
InChI=1S/C7H6F2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3
InChIKey
CKKAZWYLHGNVDZ-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

160.03358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04086 131.0
[M+Na]+ 183.02280 142.7
[M+NH4]+ 178.06740 138.1
[M+K]+ 198.99674 137.1
[M-H]- 159.02630 129.8
[M+Na-2H]- 181.00825 136.2
[M]+ 160.03303 132.1
[M]- 160.03413 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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